@article{17908,
  abstract     = {Ferrocenes are ubiquitous organometallic building blocks that comprise a Fe atom sandwiched between two cyclopentadienyl (Cp) rings that rotate freely at room temperature. Of widespread interest in fundamental studies and real-world applications, they have also attracted some interest as functional elements of molecular-scale devices. Here we investigate the impact of the configurational degrees of freedom of a ferrocene derivative on its single-molecule junction conductance. Measurements indicate that the conductance of the ferrocene derivative, which is suppressed by 2 orders of magnitude as compared to a fully conjugated analogue, can be modulated by altering the junction configuration. Ab initio transport calculations show that the low conductance is a consequence of destructive quantum interference effects of the Fano type that arise from the hybridization of localized metal-based d-orbitals and the delocalized ligand-based π-system. By rotation of the Cp rings, the hybridization, and thus the quantum interference, can be mechanically controlled, resulting in a conductance modulation that is seen experimentally.},
  author       = {Camarasa-Gómez, María and Hernangómez-Pérez, Daniel and Inkpen, Michael S. and Lovat, Giacomo and Fung, E-Dean and Roy, Xavier and Venkataraman, Latha and Evers, Ferdinand},
  issn         = {1530-6992},
  journal      = {Nano Letters},
  number       = {9},
  pages        = {6381--6386},
  publisher    = {American Chemical Society},
  title        = {{Mechanically tunable quantum interference in ferrocene-based single-molecule junctions}},
  doi          = {10.1021/acs.nanolett.0c01956},
  volume       = {20},
  year         = {2020},
}